5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide

C23H21N5O4 — CID 169403992

IUPAC5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H21N5O4/c1-2-31-19-12-15(21-22(23(24)30)27-28-26-21)10-11-18(19)32-13-20(29)25-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,2,13H2,1H3,(H2,24,30)(H,25,29)(H,26,27,28)
InChIKeySVMFZSAEFOLVHG-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.14
Rot. Bonds8

About 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide

5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403992) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403992
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H21N5O4/c1-2-31-19-12-15(21-22(23(24)30)27-28-26-21)10-11-18(19)32-13-20(29)25-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,2,13H2,1H3,(H2,24,30)(H,25,29)(H,26,27,28)
InChIKeySVMFZSAEFOLVHG-UHFFFAOYSA-N
XLogP3.14
TPSA132.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[3-methoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400993
5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403022
5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403034
5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403821
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402963
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223
ethyl 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400039
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958
ethyl 5-(3-ethoxy-4-propoxyphenyl)-2H-triazole-4-carboxylate
CID 169399819

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403992) is 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide is CCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is SVMFZSAEFOLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-2-31-19-12-15(21-22(23(24)30)27-28-26-21)10-11-18(19)32-13-20(29)25-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,2,13H2,1H3,(H2,24,30)(H,25,29)(H,26,27,28).
What are the key properties of 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).